(2S,7aR,13aS)-2,7a-bis(4-acetoxyphenyl)-13-oxo-3,4-dihydro-2H,13H-furo[2,3-b:5,4-h']dichromene-5,10,12,13a(7aH)-tetrayl tetraacetate

(2S,7aR,13aS)-2,7a-bis(4-acetoxyphenyl)-13-oxo-3,4-dihydro-2H,13H-furo[2,3-b:5,4-h']dichromene-5,10,12,13a(7aH)-tetrayl tetraacetate

Common Name: (2S,7aR,13aS)-2,7a-bis(4-acetoxyphenyl)-13-oxo-3,4-dihydro-2H,13H-furo[2,3-b:5,4-h']dichromene-5,10,12,13a(7aH)-tetrayl tetraacetate

Synonyms: 2H,​13H-​Furo[2,​3-​b:5,​4-​h']​ bis[1]​benzopyran-​13-​one, 5,​10,​12,​13a-​tetrakis(acetyloxy)​-​2,​7a-​bis[4-​(acetyloxy)​phenyl]​ -​3,​4,​7a,​13a-​tetrahydro-​, [2S-​(2α,​7aβ,​13aα)​]​- (9CI)

CAS Registry Number: 163360-64-3

InChI:

InChIKey:

Formula: C42H34O16

Molecular Weight: 794.718

Exact Mass: 794.1847

NMR Solvent: CDCl3

MHz: 300 (1H), 75 (1H)

Calibration: TMS

NMR references: Baba, K., Yoshikawa, M., Taniguchi, M., Kozawa, M. (1995). Biflavonoids from Daphne odora. Phytochemistry 38, 1021-1026.

Species: synthesis - Baba, K., Yoshikawa, M., Taniguchi, M., Kozawa, M. (1995). Biflavonoids from Daphne odora. Phytochemistry 38, 1021-1026.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.18 brd 9.6
3 1.83 m
4 2.64 m
6 6.3 s
2', 6' 7.57 d 8.8
3', 5' 7.06 d 8.8
6" (may be interchanged with 8") 6.99 d 2.2
8" (may be interchanged with 6") 6.69 d 2.2
2''', 6''' 7.67 d 8.8
3''', 5''' 7.13 d 8.8
OCOCH3 2.31 s
OCOCH3 2.3 s
OCOCH3 2.28 s
OCOCH3 2.09 s
OCOCH3 1.55 s

Carbon NMR Peaks

Position PPM
2 77.2
3 29.6
4 20.4
5 152.7
6 96.9
7 160
8 104.7
9 155.4
10 110.3
1' 139.3
2', 6' 126.8
3', 5' 122
4' 150.4
2" 116.9
3" 88.7
4" 179.2
5" (may be interchanged with 9") 151.9
6" (may be interchanged with 8") 110.9
7" 156.3
8" (may be interchanged with 6") 112.9
9" (may be interchanged with 5") 158.7
10" 113.8
1''' 133.5
2''', 6''' 128.9
3''', 5''' 121.3
4''' 152.2
OCOCH3 170.4
OCOCH3 170.2
OCOCH3 169.7
OCOCH3 169
OCOCH3 168.7
OCOCH3 168.4
OCOCCH3 21.4
OCOCCH3 21.3
OCOCCH3 21.3
OCOCCH3 21
OCOCCH3 19.9